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SCHEMBL27465141

SCHEMBL27465141

Cc1nn(C(C)Cc2cnc3[nH]c(-c4cnn(C)c4)nc3c2-c2ccc(CNC(=O)c3nc(C(C)(C)C)no3)c(S(C)(=O)=O)c2)c(C)c1-c1nc2c(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(S(C)(=O)=O)c3)ccnc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.52
▸ LCK P06239 2/20 0.52
▸ AURKA O14965 1/20 0.42
▸ FGR P09769 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MINK1 Q8N4C8 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27452174 0.90 BTK (0.45) BTKLCKAURKAFGRCYP2C9
SCHEMBL27452240 0.87 BTK (0.66) BTKLCKKCNH2
SCHEMBL27458798 0.86 BTK (0.52) BTKLCKAURKAFGRCYP2C9
SCHEMBL30950532 0.86 BTK (0.52) BTKLCKAURKAFGRCYP2C9
SCHEMBL27452171 0.83 BTK (0.52) BTKLCKAURKAFGRCYP2C9
SCHEMBL30950600 0.79 BTK (0.68) BTKLCKKCNH2
SCHEMBL27452389 0.79 BTK (0.68) BTKLCKKCNH2
SCHEMBL17645895 0.79 BTK (0.81) BTKLCK
SCHEMBL27452241 0.79 BTK (0.68) BTKLCKKCNH2
SCHEMBL30950581 0.78 BTK (0.54) BTKLCKAURKAFGRCYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
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